Steroid O-sulfate

Properties Image MNX_ID MNXM7787 reference keggC:C02590 formula C18H24O4S global charge 0 mol weight 336.453 InChIKey KFFRVXQLZSOXIX-UHFFFAOYSA-N InChI InChI=1S/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21) SMILES CC12CCCC1C1CCC3=C(C=CC(OS(=O)(=O)O)=C3)C1CC2 MNX internals InChI (mnx) InChI=1/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)/t15?,16?,17?,18? SMILES (mnx) [CH3:1][C:18]12[CH2:9][CH2:2][CH2:3][CH:17]1[CH:16]1[CH2:6][CH2:4][C:12]3=[CH:11][C:13]([O:22][S:23]([OH:19])(=[O:20])=[O:21])=[CH:5][CH:7]=[C:14]3[CH:15]1[CH2:8][CH2:10]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0